(5R)-8-chloro-3-methyl-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepin-7-ol

C18H20ClNO — CID 14787973

IUPAC(5R)-8-chloro-3-methyl-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepin-7-ol
SMILESCc1cccc([C@H]2CN(C)CCc3cc(Cl)c(O)cc32)c1
InChIInChI=1S/C18H20ClNO/c1-12-4-3-5-13(8-12)16-11-20(2)7-6-14-9-17(19)18(21)10-15(14)16/h3-5,8-10,16,21H,6-7,11H2,1-2H3/t16-/m1/s1
InChIKeyHHRKKWMHCUVBNV-MRXNPFEDSA-N
MW301.82 g/mol
LogP3.97
Rot. Bonds1

About (5R)-8-chloro-3-methyl-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepin-7-ol

(5R)-8-chloro-3-methyl-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepin-7-ol (PubChem CID 14787973) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is (5R)-8-chloro-3-methyl-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepin-7-ol.

Molecular Properties

Compound Name(5R)-8-chloro-3-methyl-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepin-7-ol
PubChem CID14787973
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name(5R)-8-chloro-3-methyl-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepin-7-ol
SMILESCc1cccc([C@H]2CN(C)CCc3cc(Cl)c(O)cc32)c1
InChIInChI=1S/C18H20ClNO/c1-12-4-3-5-13(8-12)16-11-20(2)7-6-14-9-17(19)18(21)10-15(14)16/h3-5,8-10,16,21H,6-7,11H2,1-2H3/t16-/m1/s1
InChIKeyHHRKKWMHCUVBNV-MRXNPFEDSA-N
XLogP3.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5R)-8-chloro-3-methyl-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepin-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-8-chloro-3-methyl-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The IUPAC name of (5R)-8-chloro-3-methyl-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepin-7-ol (CID 14787973) is (5R)-8-chloro-3-methyl-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepin-7-ol.
What is the SMILES notation for (5R)-8-chloro-3-methyl-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The canonical SMILES for (5R)-8-chloro-3-methyl-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepin-7-ol is Cc1cccc([C@H]2CN(C)CCc3cc(Cl)c(O)cc32)c1.
What is the InChIKey of (5R)-8-chloro-3-methyl-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The InChIKey is HHRKKWMHCUVBNV-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-12-4-3-5-13(8-12)16-11-20(2)7-6-14-9-17(19)18(21)10-15(14)16/h3-5,8-10,16,21H,6-7,11H2,1-2H3/t16-/m1/s1.
What are the key properties of (5R)-8-chloro-3-methyl-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
(5R)-8-chloro-3-methyl-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepin-7-ol has a molecular weight of 301.82 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-8-chloro-3-methyl-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepin-7-ol is sourced from PubChem (CID 14787973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).